Crystallography Open Database

Information card for entry 7711624

Preview

Coordinates	7711624.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H19 Co N7 O9
Calculated formula	C13 H19 Co N7 O9
SMILES	CC1N[N]2=C(C)c3cccc4C(=[N]5[Co]2([n]34)([O]=C(C)N5)([O]=1)(ON(=O)=O)[OH2])C.N(=O)(=O)[O-]
Title of publication	Modulation of the magnetic dynamics of pentagonal-bipyramidal Co(II) complexes by fine-tuning the coordination microenvironment.
Authors of publication	Qin, Yuanyuan; Wu, Yuewei; Luo, Shuchang; Xi, Jing; Guo, Yan; Ding, Yi; Zhang, Jun; Liu, Xiangyu
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2022
a	16.0546 ± 0.0012 Å
b	8.0594 ± 0.0005 Å
c	15.2612 ± 0.001 Å
α	90°
β	95.807 ± 0.002°
γ	90°
Cell volume	1964.5 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0553
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.1052
Weighted residual factors for all reflections included in the refinement	0.1145
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
278888 (current)	2022-11-01	cif/ Adding structures of 7711622, 7711623, 7711624, 7711625 via cif-deposit CGI script.	7711624.cif